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Compound Detail

CHEMBL5907765

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CN1CCc2cc(Nc3nccc(-c4cn(C5COC5)nc4-c4cccnc4)n3)ccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5907765
Phase Preclinical
Structure Type MOL
InChI Key CKMYFSYZOMWJLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.70
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N7O
MW 439.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 7.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
 IC50 7.73 7.73 18.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 18.7 nM 7.73 Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... -

Data from ChEMBL 36 via Core Engine